(3-cyanophenyl)methyl 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate

Systemtic Name: (3-cyanophenyl)methyl 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Openeye Name: (3-cyanophenyl)methyl 4-[methyl(2-thienylsulfonyl)amino]butanoate CAS Name: 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate Traditional Name: 4-[methyl(2-thienylsulfonyl)amino]butyric acid (3-cyanobenzyl) ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OCC1=CC=CC(=C1)C#N)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CN(CCCC(=O)OCC1=CC=CC(=C1)C#N)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H18N2O4S2/c1-19(25(21,22)17-8-4-10-24-17)9-3-7-16(20)23-13-15-6-2-5-14(11-15)12-18/h2,4-6,8,10-11H,3,7,9,13H2,1H3